2-methylbut-3-ynyl 4-methylbenzenesulfonate

Systemtic Name: 2-methylbut-3-ynyl 4-methylbenzenesulfonate Openeye Name: 2-methylbut-3-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-methylbut-3-ynyl ester IUPAC Name: 2-methylbut-3-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-methylbut-3-ynyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C#C

InChI

InChI=1S/C12H14O3S/c1-4-10(2)9-15-16(13,14)12-7-5-11(3)6-8-12/h1,5-8,10H,9H2,2-3H3